SCHEMBL1493778

SCHEMBL1493778

CCNS(=O)(=O)Nc1cccc(Cc2c(O)c3ccc(Oc4ncccn4)cc3oc2=O)c1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.71
RAF1 P04049 15/20 0.56
CYP2C9 P11712 3/20 0.53
CYP3A4 P08684 2/20 0.53
BRAF P15056 1/20 0.48
MAP2K2 P36507 1/20 0.48
MAP2K5 Q13163 1/20 0.48
NQO1 P15559 1/20 0.46
VKORC1 Q9BQB6 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL959013 0.93 MAP2K1 (0.82) MAP2K1RAF1CYP2C9CYP3A4BRAF
SCHEMBL12917636 0.83 MAP2K1 (1.00) MAP2K1RAF1CYP2C9CYP3A4BRAF
SCHEMBL960824 0.80 MAP2K1 (0.55) MAP2K1RAF1CYP2C9CYP3A4BRAF
SCHEMBL16457373 0.79 MAP2K1 (0.62) MAP2K1RAF1CYP2C9CYP3A4BRAF
SCHEMBL962892 0.77 MAP2K1 (0.58) MAP2K1RAF1CYP2C9CYP3A4NQO1
SCHEMBL960075 0.74 MAP2K1 (0.84) MAP2K1RAF1CYP2C9CYP3A4BRAF
SCHEMBL971525 0.73 MAP2K1 (0.68) MAP2K1RAF1CYP2C9CYP3A4BRAF
SCHEMBL959279 0.73 MAP2K1 (0.86) MAP2K1RAF1CYP2C9CYP3A4BRAF
SCHEMBL1494150 0.73 MAP2K1 (0.71) MAP2K1RAF1CYP2C9CYP3A4BRAF
SCHEMBL958959 0.72 MAP2K1 (0.79) MAP2K1RAF1CYP2C9CYP3A4BRAF

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897792-B2 Coumarin derivative having antitumor activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-03-01 US disclosed
US-20100004233-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-01-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100004233-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SULT1A1, SULT1E1 MAP2K1 3163/4885RAF1 438/4885CYP2C9 448/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.